6-Fluoro-2-oxo-1-(2-oxo-2-phenyl-ethyl)-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-[1,8]-naphthyridine-3-carbonitrile

HCID 59699652

Notes Reactions

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Basic information

Standard SMILES: N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2cc(F)cnc2n(CC(=O)c2ccccc2)c1=O
InChIKey: QUPSHFIUQCLAQM-UHFFFAOYSA-N
Molecular formula: C26H20FN5O3S
Average molar mass: 501.5 g/mol

Names & identifiers

Preferred name: 6-Fluoro-2-oxo-1-(2-oxo-2-phenyl-ethyl)-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-[1,8]-naphthyridine-3-carbonitrile
IUPAC: 6-fluoro-2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,8-naphthyridine-3-carbonitrile

Names & synonyms

SCHEMBL4848396QUPSHFIUQCLAQM-UHFFFAOYSA-N6-Fluoro-2-oxo-1-(2-oxo-2-phenyl-ethyl)-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-[1,8]-naphthyridine-3-carbonitrile

Database identifiers

PubChem CID: 59699652

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 126 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 36
Formal charge: 0
Complexity: 966

Related reactions

2 records

New reaction record

HRID 687543As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 901282As productuspto-grants-2008_04

Compound notes

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